N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

C19H17F3N6OS2 — CID 16622401

IUPACN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCc1cc(-c2csc(NC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)n2)c(C)s1
InChIInChI=1S/C19H17F3N6OS2/c1-8-5-13(11(4)31-8)14-7-30-18(24-14)25-15(29)6-12-9(2)23-17-26-16(19(20,21)22)27-28(17)10(12)3/h5,7H,6H2,1-4H3,(H,24,25,29)
InChIKeyFEDDRJFDPSZYBQ-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.74
Rot. Bonds4

About N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 16622401) has the molecular formula C19H17F3N6OS2 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID16622401
Molecular FormulaC19H17F3N6OS2
Molecular Weight466.51 g/mol
Exact Mass466.09
IUPAC NameN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCc1cc(-c2csc(NC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)n2)c(C)s1
InChIInChI=1S/C19H17F3N6OS2/c1-8-5-13(11(4)31-8)14-7-30-18(24-14)25-15(29)6-12-9(2)23-17-26-16(19(20,21)22)27-28(17)10(12)3/h5,7H,6H2,1-4H3,(H,24,25,29)
InChIKeyFEDDRJFDPSZYBQ-UHFFFAOYSA-N
XLogP4.74
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide with MolForge

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Related Compounds

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945543
2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7118068
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 16309425
2-(4-fluorophenyl)-N-(3-methyl-1-(4-(thiophen-2-yl)thiazol-2-yl)-1H-pyrazol-5-yl)acetamide
CID 27477369
3,4-difluoro-N-(3-methyl-1-(4-(thiophen-2-yl)thiazol-2-yl)-1H-pyrazol-5-yl)benzamide
CID 27477388
N-{3-methyl-1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-yl}-2-(trifluoromethyl)benzamide
CID 27477394
N-(1-(4-fluorobenzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 29696276
N-(benzo[d]thiazol-2-yl)-2-((6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
CID 40982636
2-fluoro-N-(3-methyl-1-(4-(thiophen-2-yl)thiazol-2-yl)-1H-pyrazol-5-yl)benzamide
CID 42109164
N-[3-(Aminocarbonyl)-4-ethyl-5-methyl-2-thienyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 3411089
N-(benzo[d]thiazol-2-yl)-2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 16815081
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 20862969

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (CID 16622401) is N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is Cc1cc(-c2csc(NC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)n2)c(C)s1.
What is the InChIKey of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is FEDDRJFDPSZYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6OS2/c1-8-5-13(11(4)31-8)14-7-30-18(24-14)25-15(29)6-12-9(2)23-17-26-16(19(20,21)22)27-28(17)10(12)3/h5,7H,6H2,1-4H3,(H,24,25,29).
What are the key properties of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 16622401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).